3-([1,3]dioxolo[4,5-f]indol-5-yl)propyl carbamimidothioate

Systemtic Name: 3-([1,3]dioxolo[4,5-f]indol-5-yl)propyl carbamimidothioate Openeye Name: 2-[3-([1,3]dioxolo[4,5-f]indol-5-yl)propyl]isothiourea CAS Name: carbamimidothioic acid 3-([1,3]dioxolo[4,5-f]indol-5-yl)propyl ester IUPAC Name: 3-([1,3]dioxolo[4,5-f]indol-5-yl)propyl carbamimidothioate Traditional Name: 2-[3-([1,3]dioxol[4,5-f]indol-5-yl)propyl]isothiourea Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C3C(=C2)C=CN3CCCSC(=N)N

Isomeric SMILES

C1OC2=C(O1)C=C3C(=C2)C=CN3CCCSC(=N)N

InChI

InChI=1S/C13H15N3O2S/c14-13(15)19-5-1-3-16-4-2-9-6-11-12(7-10(9)16)18-8-17-11/h2,4,6-7H,1,3,5,8H2,(H3,14,15)